N-propan-2-ylprop-2-enamide;prop-1-ene

C9H17NO — CID 157180782

IUPACN-propan-2-ylprop-2-enamide;prop-1-ene
SMILESC=CC.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C3H6/c1-4-6(8)7-5(2)3;1-3-2/h4-5H,1H2,2-3H3,(H,7,8);3H,1H2,2H3
InChIKeyAONUQMAQJMKOPK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.89
Rot. Bonds2

About N-propan-2-ylprop-2-enamide;prop-1-ene

N-propan-2-ylprop-2-enamide;prop-1-ene (PubChem CID 157180782) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-propan-2-ylprop-2-enamide;prop-1-ene.

Molecular Properties

Compound NameN-propan-2-ylprop-2-enamide;prop-1-ene
PubChem CID157180782
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-propan-2-ylprop-2-enamide;prop-1-ene
SMILESC=CC.C=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO.C3H6/c1-4-6(8)7-5(2)3;1-3-2/h4-5H,1H2,2-3H3,(H,7,8);3H,1H2,2H3
InChIKeyAONUQMAQJMKOPK-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Isopropylacrylamide
CID 16637
N-Allylacetamide
CID 69653
Allylacrylamide
CID 95149
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(n-Propyl) acrylamide
CID 114794
N-Ethyl acrylamide
CID 9793705
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
Poly(N-isopropylacrylamide-N-tert-butylacrylamide)copolymer
CID 3080965
N-Ethyl-2E,4E-hexadienamide
CID 11434990
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
n-s-Butylacrylamide
CID 10171451
2-Butenamide, N-2-propenyl-
CID 5354840

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylprop-2-enamide;prop-1-ene?
The IUPAC name of N-propan-2-ylprop-2-enamide;prop-1-ene (CID 157180782) is N-propan-2-ylprop-2-enamide;prop-1-ene.
What is the SMILES notation for N-propan-2-ylprop-2-enamide;prop-1-ene?
The canonical SMILES for N-propan-2-ylprop-2-enamide;prop-1-ene is C=CC.C=CC(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylprop-2-enamide;prop-1-ene?
The InChIKey is AONUQMAQJMKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H6/c1-4-6(8)7-5(2)3;1-3-2/h4-5H,1H2,2-3H3,(H,7,8);3H,1H2,2H3.
What are the key properties of N-propan-2-ylprop-2-enamide;prop-1-ene?
N-propan-2-ylprop-2-enamide;prop-1-ene has a molecular weight of 155.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylprop-2-enamide;prop-1-ene is sourced from PubChem (CID 157180782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).